0 mol 24 unq 0 iso 0 dist 8.3964 5.65754 9.63925 5.61248 5.80953 7.7447 10.0962 7.85986 8.25818 11.1587 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.90581 7.88072 5.6849 4.5844 11.8596 8.67216 4.83638 12.7096 9.63882 3.08756 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.90581 7.88072 5.6849 4.5844 11.8596 8.67216 5.2103 9.94082 6.87277 3.30447 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.8073 7.49794 13.357 11.3706 16.0533 7.70645 13.819 18.0227 8.14245 5.43784 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.8073 7.49794 13.357 11.3706 16.0533 7.70645 11.8742 15.5445 6.36817 9.7018 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 6.8073 7.49794 13.357 11.3706 16.0533 7.70645 5.44298 7.32996 8.0812 8.95384 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 6.8073 7.49794 13.357 11.3706 16.0533 7.70645 9.10301 13.8202 4.17933 4.57947 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 6.8073 7.49794 13.357 11.3706 16.0533 7.70645 7.24268 11.605 5.54893 4.60843 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 6.42242 8.26877 13.697 12.0497 16.2743 7.78689 5.39197 7.20729 8.22812 9.26377 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 6.42242 8.26877 13.697 12.0497 16.2743 7.78689 9.53255 13.73 4.22002 4.88527 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 6.42242 8.26877 13.697 12.0497 16.2743 7.78689 7.75132 11.6534 5.77855 4.76279 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 6.42242 8.26877 13.697 12.0497 16.2743 7.78689 14.2848 17.948 8.10774 5.56357 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 6.42242 8.26877 13.697 12.0497 16.2743 7.78689 12.4977 15.8154 6.5241 9.94951 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 5.60663 7.49794 6.34854 11.3706 12.7381 7.70645 13.819 12.8942 8.14245 5.43784 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 5.60663 7.49794 6.34854 11.3706 12.7381 7.70645 11.8742 8.56365 6.36817 9.7018 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 5.60663 7.49794 6.34854 11.3706 12.7381 7.70645 5.44298 7.47783 8.0812 8.95384 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 5.60663 7.49794 6.34854 11.3706 12.7381 7.70645 9.10301 8.74151 4.17933 4.57947 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 5.60663 7.49794 6.34854 11.3706 12.7381 7.70645 7.24268 8.69662 5.54893 4.60843 numMergedOcc 0
18 mol 63 unq 0 iso 0 dist 5.55574 6.89855 7.1742 5.74753 11.0636 8.78414 5.04771 9.50826 8.14512 4.73277 numMergedOcc 0
19 mol 63 unq 1 iso 0 dist 5.55574 6.89855 7.1742 5.74753 11.0636 8.78414 9.54378 10.7206 9.13228 10.1907 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 7.99438 4.2253 6.1647 5.21981 10.8539 4.74254 8.65653 10.0108 6.20144 7.19532 numMergedOcc 0
21 mol 79 unq 1 iso 0 dist 6.64915 4.2253 4.31939 5.21981 8.50427 4.74254 8.65653 5.79139 6.20144 7.19532 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 8.08787 5.05893 4.29937 6.90443 8.04853 6.67137 3.65186 numMergedOcc 0
23 mol 85 unq 1 iso 0 dist 9.18097 7.51319 5.22259 8.08787 5.05893 4.29937 17.0873 11.3824 9.78707 12.2971 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 9.18097 7.51319 5.22259 10.4844 5.71866 3.65628 6.90443 8.04853 6.67137 7.00044 numMergedOcc 0
25 mol 85 unq 3 iso 0 dist 9.18097 7.51319 5.22259 10.4844 5.71866 3.65628 17.0873 11.3824 9.78707 8.64367 numMergedOcc 0
26 mol 85 unq 4 iso 0 dist 9.18097 7.51319 5.22259 16.4231 11.3323 9.77774 6.90443 8.04853 6.67137 16.1804 numMergedOcc 0
27 mol 85 unq 5 iso 0 dist 9.18097 7.51319 5.22259 16.4231 11.3323 9.77774 17.0873 11.3824 9.78707 3.21259 numMergedOcc 0
28 mol 85 unq 6 iso 0 dist 9.18097 8.49887 7.66499 8.08787 5.05893 5.37869 10.1386 15.5788 9.09711 11.8779 numMergedOcc 0
29 mol 85 unq 7 iso 0 dist 9.18097 8.49887 7.66499 8.08787 5.05893 5.37869 13.1772 15.4163 7.91193 11.7094 numMergedOcc 0
30 mol 85 unq 8 iso 0 dist 9.18097 8.49887 7.66499 8.08787 5.05893 5.37869 6.90443 8.04853 7.04244 3.65186 numMergedOcc 0
31 mol 85 unq 9 iso 0 dist 9.18097 8.49887 7.66499 8.08787 5.05893 5.37869 13.5026 14.0171 7.07839 10.0372 numMergedOcc 0
32 mol 85 unq 10 iso 0 dist 9.18097 8.49887 7.66499 8.08787 5.05893 5.37869 17.0873 11.3824 9.63449 12.2971 numMergedOcc 0
33 mol 85 unq 11 iso 0 dist 9.18097 8.49887 7.66499 10.4844 5.71866 4.05415 10.1386 15.5788 9.09711 12.4835 numMergedOcc 0
34 mol 85 unq 12 iso 0 dist 9.18097 8.49887 7.66499 10.4844 5.71866 4.05415 13.1772 15.4163 7.91193 10.7591 numMergedOcc 0
35 mol 85 unq 13 iso 0 dist 9.18097 8.49887 7.66499 10.4844 5.71866 4.05415 6.90443 8.04853 7.04244 7.00044 numMergedOcc 0
36 mol 85 unq 14 iso 0 dist 9.18097 8.49887 7.66499 10.4844 5.71866 4.05415 13.5026 14.0171 7.07839 8.78995 numMergedOcc 0
37 mol 85 unq 15 iso 0 dist 9.18097 8.49887 7.66499 10.4844 5.71866 4.05415 17.0873 11.3824 9.63449 8.64367 numMergedOcc 0
38 mol 85 unq 16 iso 0 dist 9.18097 8.49887 7.66499 16.4231 11.3323 9.97944 10.1386 15.5788 9.09711 17.9023 numMergedOcc 0
39 mol 85 unq 17 iso 0 dist 9.18097 8.49887 7.66499 16.4231 11.3323 9.97944 13.1772 15.4163 7.91193 15.1209 numMergedOcc 0
40 mol 85 unq 18 iso 0 dist 9.18097 8.49887 7.66499 16.4231 11.3323 9.97944 6.90443 8.04853 7.04244 16.1804 numMergedOcc 0
41 mol 85 unq 19 iso 0 dist 9.18097 8.49887 7.66499 16.4231 11.3323 9.97944 13.5026 14.0171 7.07839 14.2664 numMergedOcc 0
42 mol 85 unq 20 iso 0 dist 9.18097 8.49887 7.66499 16.4231 11.3323 9.97944 17.0873 11.3824 9.63449 3.21259 numMergedOcc 0
43 mol 85 unq 21 iso 0 dist 8.83135 9.43839 5.22259 11.053 5.05893 4.29937 14.6513 8.04853 6.67137 3.65186 numMergedOcc 0
44 mol 85 unq 22 iso 0 dist 8.83135 9.43839 5.22259 11.053 5.05893 4.29937 4.43737 11.3824 9.78707 12.2971 numMergedOcc 0
45 mol 85 unq 23 iso 0 dist 8.83135 9.43839 5.22259 7.97629 5.71866 3.65628 14.6513 8.04853 6.67137 7.00044 numMergedOcc 0
46 mol 85 unq 24 iso 0 dist 8.83135 9.43839 5.22259 7.97629 5.71866 3.65628 4.43737 11.3824 9.78707 8.64367 numMergedOcc 0
47 mol 85 unq 25 iso 0 dist 8.83135 9.43839 5.22259 5.46713 11.3323 9.77774 14.6513 8.04853 6.67137 16.1804 numMergedOcc 0
48 mol 85 unq 26 iso 0 dist 8.83135 9.43839 5.22259 5.46713 11.3323 9.77774 4.43737 11.3824 9.78707 3.21259 numMergedOcc 0
49 mol 194 unq 0 iso 0 dist 8.09776 7.56217 12.7379 5.39223 9.64441 4.45769 11.7008 17.7356 5.10542 9.23342 numMergedOcc 0
50 mol 194 unq 1 iso 0 dist 8.09776 7.56217 12.7379 7.15294 13.1921 8.99961 11.7008 17.7356 5.10542 11.7699 numMergedOcc 0
51 mol 194 unq 2 iso 0 dist 8.09776 9.81055 15.4151 5.39223 9.64441 5.89939 11.7008 17.7356 4.68722 9.23342 numMergedOcc 0
52 mol 194 unq 3 iso 0 dist 8.09776 9.81055 15.4151 5.39223 9.64441 5.89939 14.7138 19.4115 5.18325 10.3782 numMergedOcc 0
53 mol 194 unq 4 iso 0 dist 8.09776 9.81055 15.4151 7.15294 13.1921 8.18853 11.7008 17.7356 4.68722 11.7699 numMergedOcc 0
54 mol 194 unq 5 iso 0 dist 8.09776 9.81055 15.4151 7.15294 13.1921 8.18853 14.7138 19.4115 5.18325 13.0759 numMergedOcc 0
55 mol 194 unq 6 iso 0 dist 5.4455 7.56217 3.7326 5.39223 4.19371 4.45769 11.7008 8.43182 5.10542 9.23342 numMergedOcc 0
56 mol 194 unq 7 iso 0 dist 5.4455 7.56217 3.7326 7.15294 9.71015 8.99961 11.7008 8.43182 5.10542 11.7699 numMergedOcc 0
57 mol 194 unq 8 iso 0 dist 5.4455 9.81055 7.29209 5.39223 4.19371 5.89939 11.7008 8.43182 4.68722 9.23342 numMergedOcc 0
58 mol 194 unq 9 iso 0 dist 5.4455 9.81055 7.29209 5.39223 4.19371 5.89939 14.7138 11.0347 5.18325 10.3782 numMergedOcc 0
59 mol 194 unq 10 iso 0 dist 5.4455 9.81055 7.29209 7.15294 9.71015 8.18853 11.7008 8.43182 4.68722 11.7699 numMergedOcc 0
60 mol 194 unq 11 iso 0 dist 5.4455 9.81055 7.29209 7.15294 9.71015 8.18853 14.7138 11.0347 5.18325 13.0759 numMergedOcc 0
61 mol 204 unq 0 iso 0 dist 9.23676 8.77524 3.85186 5.9943 9.94968 7.33774 10.6524 11.8881 8.32259 4.7839 numMergedOcc 0
62 mol 204 unq 1 iso 0 dist 9.23676 8.77524 3.85186 5.9943 9.94968 7.33774 9.88337 13.0568 9.93489 4.05102 numMergedOcc 0
63 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 8.2786 13.3341 5.6417 11.4342 11.5842 7.85841 8.8967 numMergedOcc 0
64 mol 254 unq 1 iso 0 dist 7.28781 9.84028 11.9238 8.2786 13.3341 5.6417 11.2466 9.50951 9.20109 10.929 numMergedOcc 0
65 mol 254 unq 2 iso 0 dist 7.28781 9.84028 11.9238 5.20737 11.1806 7.42831 11.4342 11.5842 7.85841 9.42679 numMergedOcc 0
66 mol 254 unq 3 iso 0 dist 7.28781 9.84028 11.9238 5.20737 11.1806 7.42831 11.2466 9.50951 9.20109 10.706 numMergedOcc 0
67 mol 285 unq 0 iso 0 dist 6.46935 4.95596 9.60745 5.62841 11.1524 4.27826 4.57431 9.23689 5.88958 3.14843 numMergedOcc 0
68 mol 285 unq 1 iso 0 dist 6.46935 6.3508 12.3762 5.62841 11.1524 5.82074 4.57431 9.23689 7.78121 3.14843 numMergedOcc 0
